Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C48H48N4.4HI/c1-49-25-5-9-37(33-49)13-17-41-29-46-23-24-48-32-43(19-15-39-11-7-27-51(3)35-39)47(31-44(48)20-16-40-12-8-28-52(4)36-40)22-21-45(41)30-42(46)18-14-38-10-6-26-50(2)34-38;;;;/h5-20,25-36H,21-24H2,1-4H3;4*1H/q+4;;;;/p-4/b17-13+,18-14+,19-15+,20-16+;;;; |
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SMILES | C[n+]1cccc(c1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccc[n+](c1)C)cc3/C=C/c1ccc[n+](c1)C)/C=C/c1ccc[n+](c1)C.[I-].[I-].[I-].[I-] |
InChI Key | JSESGCFTBCUELB-YXGITGLMSA-J |
Molecular Formula | C48H48I4N4 |
Exact Mass | 1188.539 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/JSESGCFTBCUELB-YXGITGLMSA-J/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JSESGCFTBCUELB-YXGITGLMSA-J/CHMO0000470 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:10:45.009681 |
MetadataModified | 2024-09-08T04:10:45.009698 |
MetadataPublished | 2024-07-10 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |